SCHEMBL20008682

SCHEMBL20008682

CC(C)(C)Cc1cc(C(=O)Oc2ccc(CC(=O)O)cc2)ccc1C(N)N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.47
KLK1 P06870 2/20 0.47
TMPRSS2 O15393 1/20 0.47
TMPRSS15 P98073 7/20 0.41
SRD5A2 P31213 3/20 0.37
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
NR1H4 Q96RI1 3/20 0.36
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGS1 P23219 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
EPHX2 P34913 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20008667 0.79 PRSS1 (0.47) PRSS1KLK1TMPRSS2TMPRSS15PRSS2
SCHEMBL20008691 0.78 PRSS1 (0.40) PRSS1KLK1TMPRSS2TMPRSS15SRD5A2
SCHEMBL20008687 0.70 PRSS1 (0.44) PRSS1KLK1TMPRSS2TMPRSS15PRSS2
SCHEMBL20008674 0.68 PRSS1 (0.42) PRSS1KLK1TMPRSS2TMPRSS15PRSS2
SCHEMBL20008683 0.68 PRSS1 (0.45) PRSS1KLK1TMPRSS2TMPRSS15PRSS2
SCHEMBL20008686 0.68 TMPRSS15 (0.47) PRSS1KLK1TMPRSS2TMPRSS15NR1H4
SCHEMBL20008672 0.68 KDM4E (0.40) PRSS1KLK1TMPRSS2TMPRSS15PRSS2
SCHEMBL8660216 0.68 PRSS1 (0.64) PRSS1KLK1TMPRSS2TMPRSS15SRD5A2
SCHEMBL17236361 0.67 MAPT (0.64) MAPTTDP1L3MBTL1
SCHEMBL6721103 0.67 MAPT (0.55) PRSS1TMPRSS15MAPTTDP1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2018-03-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 PRSS1 952/4885KLK1 3383/4885TMPRSS2 588/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.